1-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone CAS Name: 1-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone Formula: C22H27N3O2+2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-27-18-7-8-21-19(13-18)20(14-23-21)22(26)16-25-11-9-24(10-12-25)15-17-5-3-2-4-6-17/h2-8,13-14,23H,9-12,15-16H2,1H3/p+2